7-hydroxy-1-(3-phenylpropyl)-4-(trifluoromethyl)quinolin-2-one

C19H16F3NO2 — CID 71036711

IUPAC7-hydroxy-1-(3-phenylpropyl)-4-(trifluoromethyl)quinolin-2-one
SMILESO=c1cc(C(F)(F)F)c2ccc(O)cc2n1CCCc1ccccc1
InChIInChI=1S/C19H16F3NO2/c20-19(21,22)16-12-18(25)23(17-11-14(24)8-9-15(16)17)10-4-7-13-5-2-1-3-6-13/h1-3,5-6,8-9,11-12,24H,4,7,10H2
InChIKeyWDFJPJZAUGKDHB-UHFFFAOYSA-N
MW347.34 g/mol
LogP4.36
Rot. Bonds4

About 7-hydroxy-1-(3-phenylpropyl)-4-(trifluoromethyl)quinolin-2-one

7-hydroxy-1-(3-phenylpropyl)-4-(trifluoromethyl)quinolin-2-one (PubChem CID 71036711) has the molecular formula C19H16F3NO2 and a molecular weight of 347.34 g/mol. Its IUPAC name is 7-hydroxy-1-(3-phenylpropyl)-4-(trifluoromethyl)quinolin-2-one.

Molecular Properties

Compound Name7-hydroxy-1-(3-phenylpropyl)-4-(trifluoromethyl)quinolin-2-one
PubChem CID71036711
Molecular FormulaC19H16F3NO2
Molecular Weight347.34 g/mol
Exact Mass347.11
IUPAC Name7-hydroxy-1-(3-phenylpropyl)-4-(trifluoromethyl)quinolin-2-one
SMILESO=c1cc(C(F)(F)F)c2ccc(O)cc2n1CCCc1ccccc1
InChIInChI=1S/C19H16F3NO2/c20-19(21,22)16-12-18(25)23(17-11-14(24)8-9-15(16)17)10-4-7-13-5-2-1-3-6-13/h1-3,5-6,8-9,11-12,24H,4,7,10H2
InChIKeyWDFJPJZAUGKDHB-UHFFFAOYSA-N
XLogP4.36
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.34
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-1-(3-phenylpropyl)-4-(trifluoromethyl)quinolin-2-one?
The IUPAC name of 7-hydroxy-1-(3-phenylpropyl)-4-(trifluoromethyl)quinolin-2-one (CID 71036711) is 7-hydroxy-1-(3-phenylpropyl)-4-(trifluoromethyl)quinolin-2-one.
What is the SMILES notation for 7-hydroxy-1-(3-phenylpropyl)-4-(trifluoromethyl)quinolin-2-one?
The canonical SMILES for 7-hydroxy-1-(3-phenylpropyl)-4-(trifluoromethyl)quinolin-2-one is O=c1cc(C(F)(F)F)c2ccc(O)cc2n1CCCc1ccccc1.
What is the InChIKey of 7-hydroxy-1-(3-phenylpropyl)-4-(trifluoromethyl)quinolin-2-one?
The InChIKey is WDFJPJZAUGKDHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3NO2/c20-19(21,22)16-12-18(25)23(17-11-14(24)8-9-15(16)17)10-4-7-13-5-2-1-3-6-13/h1-3,5-6,8-9,11-12,24H,4,7,10H2.
What are the key properties of 7-hydroxy-1-(3-phenylpropyl)-4-(trifluoromethyl)quinolin-2-one?
7-hydroxy-1-(3-phenylpropyl)-4-(trifluoromethyl)quinolin-2-one has a molecular weight of 347.34 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-1-(3-phenylpropyl)-4-(trifluoromethyl)quinolin-2-one is sourced from PubChem (CID 71036711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).